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Home > Pyridines > 1334147-68-0
1334147-68-0 | 1-(2-methylpropyl)-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS No: 1334147-68-0 Catalog No: AG01AJUR MDL No:MFCD19686415
Product Description
Catalog Number:
AG01AJUR
Chemical Name:
1-(2-methylpropyl)-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CAS Number:
1334147-68-0
Molecular Formula:
C11H12ClN3O4S
Molecular Weight:
317.7487
MDL Number:
MFCD19686415
IUPAC Name:
1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
InChI:
InChI=1S/C11H12ClN3O4S/c1-6(2)5-15-9-8(10(16)14-11(15)17)3-7(4-13-9)20(12,18)19/h3-4,6H,5H2,1-2H3,(H,14,16,17)
InChI Key:
YQFHRXSOITUUEY-UHFFFAOYSA-N
SMILES:
CC(Cn1c(=O)[nH]c(=O)c2c1ncc(c2)S(=O)(=O)Cl)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.024g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.744g/mol
Monoisotopic Mass:
317.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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